| SpectraBase Spectrum ID |
C44l8uBSuB8 |
| Name |
Sebacic acid, 2,4-dimethylpent-3-yl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.308309828 u |
| Formula |
C22H42O4 |
| InChI |
InChI=1S/C22H42O4/c1-6-7-14-17-25-20(23)15-12-10-8-9-11-13-16-21(24)26-22(18(2)3)19(4)5/h18-19,22H,6-17H2,1-5H3 |
| InChIKey |
LKIINCXMPDZXAK-UHFFFAOYSA-N |
| Molecular Weight |
370.574 g/mol |
| SMILES |
C(CCCCC(OC(C(C)C)C(C)C)=O)CCCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828524 |
